ethyl 3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-2H-pyrazin-4-ium-1-yl]-1H-indole-4-carboxylate

Systemtic Name: ethyl 3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-2H-pyrazin-4-ium-1-yl]-1H-indole-4-carboxylate Openeye Name: ethyl 3-(5-isobutyl-3-methoxy-6-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)-1H-indole-4-carboxylate CAS Name: 3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]-1H-indole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]-1H-indole-4-carboxylate Traditional Name: 3-(5-isobutyl-3-methoxy-6-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)-1H-indole-4-carboxylic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)NC=C2N3CC(=[N+](C(=C3C)CC(C)C)[O-])OC

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)NC=C2N3CC(=[N+](C(=C3C)CC(C)C)[O-])OC

InChI

InChI=1S/C21H27N3O4/c1-6-28-21(25)15-8-7-9-16-20(15)18(11-22-16)23-12-19(27-5)24(26)17(14(23)4)10-13(2)3/h7-9,11,13,22H,6,10,12H2,1-5H3